SCHEMBL22064708

SCHEMBL22064708

O=S(=O)(Oc1ccc2cc(-c3cccc4cccnc34)ccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ENPP1 P22413 1/20 0.41
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
PDE4A P27815 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
PDE4B Q07343 3/20 0.38
SLC40A1 Q9NP59 4/20 0.37
BRD4 O60885 1/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP1 P07148 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25453598 0.82 PDE4A (0.39) CA1CA2PDE4APDE4CPDE4D
SCHEMBL1773802 0.78 ENPP1 (0.54) CA1CA2ENPP1PDE4APDE4C
SCHEMBL31299565 0.78 METAP2 (0.53) CA1CA2PDE4APDE4CPDE4D
SCHEMBL31299567 0.77 CA1 (0.53) CA1CA2JAK2JAK3PTK2
SCHEMBL31440230 0.76 CA1 (0.53) CA1CA2JAK2JAK3PTK2
SCHEMBL20622597 0.75 CA2 (0.45) CA1CA2JAK2JAK3PTK2
SCHEMBL19050266 0.74 CA1 (0.39) CA1CA2JAK2JAK3PTK2
SCHEMBL17829449 0.74 CA2 (0.46) CA1CA2JAK2JAK3PTK2
SCHEMBL19939382 0.73 CA1 (0.41) CA1CA2JAK2JAK3PTK2
SCHEMBL28787391 0.73 ENPP1 (0.55) ENPP1PDE4APDE4CPDE4DPDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-06-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, AHR CA1 3979/4885CA2 4469/4885ENPP1 2546/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.